REMARK  Name = BDB018350
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.157  -6.211   0.153  0.00  0.00    +0.152 C 
ATOM      2  N   LIG    1        1.213  -4.768   0.322  0.00  0.00    -0.318 N 
ATOM      3  C   LIG    1        2.039  -4.230   1.300  0.00  0.00    +0.252 A 
ATOM      4  O   LIG    1        2.752  -4.879   2.059  0.00  0.00    -0.268 OA
ATOM      5  C   LIG    1        2.039  -2.750   1.402  0.00  0.00    +0.079 A 
ATOM      6  C   LIG    1        1.258  -1.993   0.609  0.00  0.00    -0.004 A 
ATOM      7  C   LIG    1        0.381  -2.633  -0.386  0.00  0.00    +0.009 A 
ATOM      8  C   LIG    1        0.411  -3.977  -0.483  0.00  0.00    +0.098 A 
ENDROOT
BRANCH   6   9
ATOM      9  C   LIG    1        1.387  -0.531   0.787  0.00  0.00    -0.017 A 
ATOM     10  C   LIG    1        2.093   0.233  -0.151  0.00  0.00    +0.009 A 
ATOM     11  C   LIG    1        2.206   1.617   0.007  0.00  0.00    +0.013 A 
ATOM     12  C   LIG    1        1.620   2.253   1.108  0.00  0.00    +0.037 A 
ATOM     13  C   LIG    1        0.897   1.496   2.038  0.00  0.00    +0.013 A 
ATOM     14  C   LIG    1        0.786   0.110   1.880  0.00  0.00    +0.009 A 
BRANCH  12  15
ATOM     15  C   LIG    1        1.773   3.728   1.234  0.00  0.00    +0.242 C 
ATOM     16  O   LIG    1        2.075   4.432   0.278  0.00  0.00    -0.270 OA
ATOM     17  N   LIG    1        1.607   4.278   2.476  0.00  0.00    -0.325 N 
ATOM     18  H   LIG    1        1.859   5.255   2.555  0.00  0.00    +0.145 HD
ATOM     19  H   LIG    1        1.661   3.720   3.315  0.00  0.00    +0.145 HD
ENDBRANCH  12  15
ENDBRANCH   6   9
BRANCH   7  20
ATOM     20  C   LIG    1       -0.476  -1.863  -1.234  0.00  0.00    +0.022 A 
ATOM     21  C   LIG    1       -1.438  -0.966  -0.829  0.00  0.00    +0.117 A 
ATOM     22  N   LIG    1       -1.958  -0.426  -1.974  0.00  0.00    -0.267 N 
ATOM     23  N   LIG    1       -1.457  -0.984  -3.099  0.00  0.00    -0.179 NA
ATOM     24  C   LIG    1       -0.542  -1.844  -2.642  0.00  0.00    +0.143 A 
BRANCH  22  25
ATOM     25  C   LIG    1       -2.978   0.613  -2.066  0.00  0.00    +0.178 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -2.575   1.869  -1.331  0.00  0.00    -0.026 A 
ATOM     27  C   LIG    1       -3.304   2.310  -0.216  0.00  0.00    +0.005 A 
ATOM     28  C   LIG    1       -2.920   3.465   0.468  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -1.809   4.191   0.044  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -1.083   3.767  -1.066  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -1.463   2.613  -1.752  0.00  0.00    +0.005 A 
ENDBRANCH  25  26
ENDBRANCH  22  25
ENDBRANCH   7  20
TORSDOF 5